Erharman, Ahmet; Yagi, Sakina; Uba, Abdullahi Ibrahim; Nikolić, Filip; Gašić, Uroš; Acar, Mikail; Dogan, Nurettin; Koyuncu, Ismail; Yapıcı, Ismail; Gulcin, Ilhami

This study presents the first comprehensive evaluation of the phytochemical composition, antioxidant properties, enzyme inhibitory effects, and cytotoxic potential of Silene nerimaniae G.E.Genç, Kandemir & İ.Genç (family Caryophyllaceae). Ethyl acetate, acetone, 70% acetone, and aqueous extracts were obtained from the aerial parts of the plant through maceration. Among the tested extracts, the acetone extract contained the highest total phenolic (24.37 mg GAE per g) and flavonoid (24.64 mg RE per g) contents. LC–MS analysis identified 52 bioactive constituents, including sugars, organic acids, phenolic acids, flavonoids, and fatty acids. The aqueous extract demonstrated the strongest radical scavenging activity against DPPH (23.02 mg TE per g) and ABTS (55.76 mg TE per g), as well as the highest Fe3+ reducing power (37.53 mg TE per g). In combination with the acetone extract, it also exhibited notable Cu2+ reducing activity (47.78 mg TE per g). Regarding enzyme inhibition, the ethyl acetate, acetone, and hydroacetone extracts displayed the strongest inhibitory activities against acetylcholinesterase (1.87 mg GALA per g), butyrylcholinesterase (2.92 mg GALA per g), and tyrosinase (60.44 mg KAE per g), respectively. All three extracts also inhibited α-amylase activity within the range of 0.73–0.77 mmol ACAE per g (p ≥ 0.05). In addition, the hydroacetone extract showed considerable inhibition of human carbonic anhydrase isoenzymes I (IC50 = 38.78 μg mL−1) and II (IC50 = 19.59 μg mL−1). The ethyl acetate extract exhibited the strongest cytotoxic effect against the colorectal cancer cell line HCT-116, with an IC50 value of 0.639 μg mL−1 and a selectivity index of 1.7. To contextualize this HCT-116-associated activity at the metabolite level, an ADEFRank-HCT116 (abundance–domain–evidence fusion ranking) workflow was applied by integrating EtOAc abundance, HCT-116-oriented QSAR evidence, applicability-domain confidence, and structure-assignment reliability. This analysis prioritized diosmetin, luteolin, eriodyctiol, acacetin, and isorhamnetin as core candidates for structure-based follow-up. Molecular docking screening predicted favorable docking profiles for the prioritized candidates, while 100 ns molecular dynamics simulations were used to assess the dynamic stability of the representative luteolin–PI3Kα, diosmetin–AKT1, and isorhamnetin–GSK-3β complexes. Taken together, these results indicate that S. nerimaniae may represent a valuable source of active compounds for various functional nutraceutical, cosmetic and pharmaceutical uses. This journal is

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Ahmed, Shakeel; Zengin, Gokhan; Fernández-Ochoa, Álvaro; de la Luz Cádiz-Gurrea, Maria; Leyva-Jiménez, Francisco Javier; Elkiran, Omer; Cakilcioglu, Ugur; Akgul, Bengusu H.; Pereira, Catarina G.; Custódio, Luísa

The current study investigated the chemical composition, antioxidant activity, enzyme inhibition, and cytotoxic activities of extracts from Achillea maritima, a wild medicinal plant used for various therapeutic purposes. The antioxidant activities were assayed through different assays like DPPH, ABTS, CUPRAC, FRAP, and phosphomolybdenum, whereas in enzyme inhibition studies, cholinesterase, tyrosinase, α-amylase, and α-glucosidase were assayed. Cytotoxicity studies are conducted on S17, RAW, and HepG2 to assess its selectivity and effectiveness. Chemical profiling by UHPLC-ESI-QTOF-MS revealed multiple bioactive compounds in the extracts. Polar solvents (ethanol, ethanol/water, and water) resulted in high concentrations of phenolic acids as well as chlorogenic and caffeoylquinic acids, as well as flavonoids like vicenin and apigenin. On the other, the nonpolar (hexane extract) was rich in octadecatrienoic acid hydroperoxy and hydroxyoctadecatrienic acid. Among these, the water extract contained the highest phenolic content of 32.26 mg GAE/g, while the ethyl acetate extract was the richest in flavonoids, with 7.83 mg RE/g. In the antioxidant studies, the water and ethanol/water extracts consistently display the most potent activities, thus indicating their significant free radical scavenging and metal chelation abilities. The studies on enzyme inhibitions showed remarkable BChE inhibitory activities of the ethanol extract in 12.50 mg GALAE/g, thus showing potential in managing disease conditions related to cholinesterase. Tyrosinase inhibition was significant by the ethanol extract, presenting 55.59 mg KAE/g. The ethyl acetate extract exhibited the most potent inhibitory activity against α-amylase with 0.66 mmol ACAE/g, while ethanol extract showed significant inhibition of α-glucosidase with 4.35 ACAE/g. Cytotoxicity results showed that the water extract was most effective against the HepG2 cancer cell line by reducing cell viability to 38.4% at high doses while preserving low toxicity against normal cells, as observed by high viability percentages in S17 and RAW cell lines. These results highlight the usefulness of A. maritima extracts in nutraceutical, pharmaceutical, and cosmeceutical applications.

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